SCHEMBL14172897

SCHEMBL14172897

BNCCCCC(NC(=O)C(C)CC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.43
▸ CAPN1 P07384 6/20 0.42
▸ CTSB P07858 1/20 0.40
▸ GNRHR P30968 3/20 0.40
▸ NMUR2 Q9GZQ4 3/20 0.39
▸ NMUR1 Q9HB89 3/20 0.39
▸ OPRM1 P35372 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8773027 0.92 APLNR (0.43) APLNRCAPN1CTSBNMUR2NMUR1
SCHEMBL29615168 0.84 GNRHR (0.45) APLNRCAPN1GNRHR
SCHEMBL29383471 0.84 GNRHR (0.45) APLNRCAPN1GNRHR
SCHEMBL30440639 0.79 OPRM1 (0.47) APLNRNMUR2NMUR1OPRM1OPRK1
SCHEMBL30440642 0.79 OPRM1 (0.47) APLNRNMUR2NMUR1OPRM1OPRK1
SCHEMBL23470064 0.78 APLNR (0.43) APLNRCAPN1GNRHRNMUR2NMUR1
Acetic Acid SCHEMBL30440885 0.77 OPRM1 (0.48) APLNRNMUR2NMUR1OPRM1OPRK1
SCHEMBL29391291 0.76 GNRHR (0.47) GNRHROPRK1MMP1MMP3
SCHEMBL15342308 0.76 ACE (0.47) CAPN1CTSBOPRM1
SCHEMBL24040282 0.76 OPRM1 (0.49) APLNRCAPN1GNRHRNMUR2NMUR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518890-B2 Luteinizing hormone-releasing hormone receptor agonist leuprorelin, or antagonist with androgen receptor agonist for prophylaxis, treatment of prostate cancer; dehydroepiandrosterone, testosterone, dihydrotestosterone; non-steroidal androgen receptor agonist; estradiol, estrone, estriol, stilbestrol TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-27 — — US disclosed
US-20080138426-A1 REMEDIES FOR SEX HORMONE DEPENDENT DISEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-06-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080138426-A1 REMEDIES FOR SEX HORMONE DEPENDENT DISEASE SHBG, NR5A1, GNRHR APLNR 447/4885CAPN1 4099/4885CTSB 2445/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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